data_4unh_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 4unh _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.443 0 CA-C-O 121.474 0.486 . . . . 40.01 113.223 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.5 tt -59.9 -48.57 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.161 0 N-CA-C 114.495 1.294 . . . . 38.54 114.495 -173.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.1 t -65.42 -42.77 94.21 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.106 0 N-CA-C 108.551 -0.907 . . . . 40.55 108.551 -171.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -59.85 -41.76 92.13 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 112.94 0.719 . . . . 58.79 112.94 172.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . -77.19 -39.08 50.15 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 110.185 -0.302 . . . . 37.61 110.185 -171.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.2 m -104.99 -20.44 13.53 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 114.546 1.314 . . . . 37.24 114.546 -169.4 -70.013 -65.72 106.159 103.828 2.022 105.12 -157.077 67.688 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -111.66 -43.54 3.63 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.679 0.612 . . . . 42.06 111.364 -179.208 174.237 67.188 95.399 108.788 2.105 108.466 -78.191 -57.295 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.2 m -77.79 -49.65 13.91 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 117.954 -1.498 . . . . 37.01 109.605 178.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -98.59 -158.87 0.7 Allowed 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.861 -0.792 . . . . 42.45 108.861 170.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.7 mt -126.03 137.29 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 109.569 -0.53 . . . . 42.37 109.569 -177.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 p -123.53 124.34 42.62 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 122.49 1.138 . . . . 38.54 113.423 -173.615 67.688 -157.077 106.159 105.12 2.022 103.828 -65.72 -70.013 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . 0.264 19.7 p -52.9 159.56 1.12 Allowed 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 112.491 -2.141 . . . . 31.16 113.475 169.133 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.8 tp -55.36 -46.7 76.46 Favored 'General case' 0 CA--C 1.505 -0.785 0 C-N-CA 119.842 -0.743 . . . . 34.52 109.303 -173.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . 0.441 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 11.0 m-30 -73.23 -25.9 60.92 Favored 'General case' 0 C--O 1.19 -2.067 0 N-CA-C 113.513 0.931 . . . . 35.57 113.513 -172.687 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -59.6 -55.27 36.6 Favored 'General case' 0 CA--C 1.485 -1.543 0 N-CA-C 106.969 -1.493 . . . . 36.35 106.969 167.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.4 tp -61.0 -32.42 72.0 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.674 -1.148 . . . . 36.0 111.05 -175.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -75.28 -12.38 60.26 Favored 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 112.512 0.56 . . . . 49.24 112.512 -172.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 14' ' ' TYR . 8.6 m-80 -94.28 10.06 35.59 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.295 1.22 . . . . 73.78 114.295 -175.055 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -110.43 26.02 11.14 Favored 'General case' 0 C--O 1.187 -2.2 0 N-CA-C 107.692 -1.225 . . . . 52.05 107.692 170.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.2 m -96.94 156.63 16.27 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 123.469 0.708 . . . . 48.47 110.414 176.393 -67.338 -64.646 -84.314 110.162 2.039 105.561 -48.554 -63.486 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 128.69 2.796 . . . . 80.21 111.568 172.185 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' B' 2001 ' ' HOH . . . . . . . . 0 N--CA 1.503 2.221 0 CA-C-O 120.559 0.219 . . . . 58.02 111.259 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -116.26 114.67 24.7 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 115.476 1.658 . . . . 60.26 115.476 -174.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -86.23 -4.01 59.09 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 115.042 1.497 . . . . 54.51 115.042 -163.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -90.01 134.17 34.39 Favored 'General case' 0 C--O 1.19 -2.035 0 N-CA-C 113.828 1.047 . . . . 39.35 113.828 -175.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.36 106.06 18.13 Favored 'General case' 0 CA--C 1.499 -1.019 0 N-CA-C 108.344 -0.984 . . . . 43.67 108.344 175.348 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 64.0 m -122.14 152.28 40.07 Favored 'General case' 0 CA--C 1.509 -0.61 0 O-C-N 123.653 0.596 . . . . 45.78 110.873 176.495 -57.295 -78.191 95.399 108.466 2.105 108.788 67.188 174.237 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.6 -129.66 49.02 Favored Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 115.468 -0.787 . . . . 43.71 113.455 175.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 78.0 p -80.52 9.47 5.96 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 120.569 0.223 . . . . 44.81 111.337 -175.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -95.86 -28.62 14.63 Favored 'General case' 0 C--O 1.192 -1.965 0 N-CA-C 105.69 -1.967 . . . . 52.6 105.69 172.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.5 tp -75.62 -35.49 60.49 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.006 -0.997 . . . . 31.81 109.685 173.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.7 t -70.88 -59.86 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.143 0 N-CA-C 108.79 -0.818 . . . . 35.28 108.79 176.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . . . -45.78 -31.49 2.07 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-O 119.106 -0.473 . . . . 34.01 111.822 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.86 -37.61 58.77 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 115.325 1.602 . . . . 37.78 115.325 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 45.9 mt -68.67 -36.63 78.78 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-O 119.265 -0.398 . . . . 36.76 110.595 174.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -59.82 -34.15 72.69 Favored 'General case' 0 C--O 1.202 -1.395 0 C-N-CA 120.027 -0.669 . . . . 54.76 110.835 178.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.2 tp -72.8 -57.44 4.08 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 123.252 0.621 . . . . 39.95 112.218 -177.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 m -78.48 -30.73 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 N-CA-C 113.667 0.988 . . . . 41.83 113.667 -171.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.2 m -68.51 -36.82 79.43 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 112.958 0.725 . . . . 45.28 112.958 177.414 -63.486 -48.554 -84.314 105.561 2.039 110.162 -64.646 -67.338 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.75 -143.95 48.41 Favored Glycine 0 CA--C 1.51 -0.255 0 N-CA-C 111.234 -0.746 . . . . 50.08 111.234 -179.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . . . -60.28 -33.28 72.11 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 111.719 0.266 . . . . 59.4 111.719 -176.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . . . -57.23 -34.27 68.4 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 122.486 0.314 . . . . 51.35 111.774 177.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.0 -162.44 35.37 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 114.831 0.692 . . . . 46.73 114.831 176.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -164.98 167.55 18.36 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.079 -1.082 . . . . 37.12 108.079 179.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 69.96 42.27 1.04 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.756 0.789 . . . . 40.65 110.774 -170.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.32 169.12 2.3 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 115.134 0.814 . . . . 55.36 115.134 -176.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.26 135.54 25.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 111.287 -2.456 . . . . 77.24 105.786 178.744 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -61.18 -172.22 0.09 OUTLIER 'Trans proline' 0 N--CA 1.485 1.023 0 N-CA-C 114.694 0.998 . . . . 88.37 114.694 174.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.387 0 O-C-N 122.322 -0.236 . . . . 76.43 . -177.763 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1022 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2001 ' ' HOH . . . . . 0.459 ' O ' ' N ' ' B' ' 2' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.443 0 CA-C-O 121.474 0.486 . . . . 40.009999999999998 113.223 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 3' ' ' VAL . 9.5 tt -59.9 -48.57 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.161 0 N-CA-C 114.495 1.294 . . . . 38.539999999999999 114.495 -173.267 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . 0.487 ' N ' HG23 ' A' ' 2' ' ' ILE . 44.1 t -65.42 -42.77 94.21 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.106 0 N-CA-C 108.551 -0.907 . . . . 40.549999999999997 108.551 -171.463 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -59.85 -41.76 92.13 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 112.94 0.719 . . . . 58.789999999999999 112.94 172.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . -77.19 -39.08 50.15 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 110.185 -0.302 . . . . 37.609999999999999 110.185 -171.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.2 m -104.99 -20.44 13.53 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 114.546 1.314 . . . . 37.240000000000002 114.546 -169.4 -70.013 -65.72 106.159 103.828 2.022 105.12 -157.077 67.688 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -111.66 -43.54 3.63 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.679 0.612 . . . . 42.060000000000002 111.364 -179.208 174.237 67.188 95.399 108.788 2.105 108.466 -78.191 -57.295 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.2 m -77.79 -49.65 13.91 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 117.954 -1.498 . . . . 37.009999999999998 109.605 178.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -98.59 -158.87 0.7 Allowed 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.861 -0.792 . . . . 42.450000000000003 108.861 170.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.7 mt -126.03 137.29 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 109.569 -0.53 . . . . 42.369999999999997 109.569 -177.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . 0.524 ' HA ' ' OE1' ' A' ' 15' ' ' GLN . 24.2 p -123.53 124.34 42.62 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 122.49 1.138 . . . . 38.539999999999999 113.423 -173.615 67.688 -157.077 106.159 105.12 2.022 103.828 -65.72 -70.013 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . 0.264 19.7 p -52.9 159.56 1.12 Allowed 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 112.491 -2.141 . . . . 31.16 113.475 169.133 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.8 tp -55.36 -46.7 76.46 Favored 'General case' 0 CA--C 1.505 -0.785 0 C-N-CA 119.842 -0.743 . . . . 34.520000000000003 109.303 -173.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . 0.439 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 11.0 m-30 -73.23 -25.9 60.92 Favored 'General case' 0 C--O 1.19 -2.067 0 N-CA-C 113.513 0.931 . . . . 35.57 113.513 -172.687 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . 0.524 ' OE1' ' HA ' ' A' ' 11' ' ' CYS . 7.2 mt-30 -59.6 -55.27 36.6 Favored 'General case' 0 CA--C 1.485 -1.543 0 N-CA-C 106.969 -1.493 . . . . 36.350000000000001 106.969 167.83 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.4 tp -61.0 -32.42 72.0 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.674 -1.148 . . . . 36.0 111.05 -175.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -75.28 -12.38 60.26 Favored 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 112.512 0.56 . . . . 49.240000000000002 112.512 -172.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 14' ' ' TYR . 8.6 m-80 -94.28 10.06 35.59 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.295 1.22 . . . . 73.780000000000001 114.295 -175.055 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -110.43 26.02 11.14 Favored 'General case' 0 C--O 1.187 -2.2 0 N-CA-C 107.692 -1.225 . . . . 52.049999999999997 107.692 170.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . 0.522 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 85.2 m -96.94 156.63 16.27 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 123.469 0.708 . . . . 48.469999999999999 110.414 176.393 -67.338 -64.646 -84.314 110.162 2.039 105.561 -48.554 -63.486 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 4.8 m-20 . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 128.69 2.796 . . . . 80.209999999999994 111.568 172.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' B' 2001 ' ' HOH . . . . . . . . 0 N--CA 1.503 2.221 0 CA-C-O 120.559 0.219 . . . . 58.020000000000003 111.259 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -116.26 114.67 24.7 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 115.476 1.658 . . . . 60.259999999999998 115.476 -174.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -86.23 -4.01 59.09 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 115.042 1.497 . . . . 54.509999999999998 115.042 -163.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -90.01 134.17 34.39 Favored 'General case' 0 C--O 1.19 -2.035 0 N-CA-C 113.828 1.047 . . . . 39.350000000000001 113.828 -175.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.36 106.06 18.13 Favored 'General case' 0 CA--C 1.499 -1.019 0 N-CA-C 108.344 -0.984 . . . . 43.670000000000002 108.344 175.348 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 64.0 m -122.14 152.28 40.07 Favored 'General case' 0 CA--C 1.509 -0.61 0 O-C-N 123.653 0.596 . . . . 45.780000000000001 110.873 176.495 -57.295 -78.191 95.399 108.466 2.105 108.788 67.188 174.237 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.6 -129.66 49.02 Favored Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 115.468 -0.787 . . . . 43.710000000000001 113.455 175.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 78.0 p -80.52 9.47 5.96 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 120.569 0.223 . . . . 44.810000000000002 111.337 -175.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -95.86 -28.62 14.63 Favored 'General case' 0 C--O 1.192 -1.965 0 N-CA-C 105.69 -1.967 . . . . 52.600000000000001 105.69 172.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.5 tp -75.62 -35.49 60.49 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.006 -0.997 . . . . 31.809999999999999 109.685 173.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.7 t -70.88 -59.86 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.143 0 N-CA-C 108.79 -0.818 . . . . 35.280000000000001 108.79 176.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . . . -45.78 -31.49 2.07 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-O 119.106 -0.473 . . . . 34.009999999999998 111.822 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.86 -37.61 58.77 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 115.325 1.602 . . . . 37.780000000000001 115.325 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 45.9 mt -68.67 -36.63 78.78 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-O 119.265 -0.398 . . . . 36.759999999999998 110.595 174.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -59.82 -34.15 72.69 Favored 'General case' 0 C--O 1.202 -1.395 0 C-N-CA 120.027 -0.669 . . . . 54.759999999999998 110.835 178.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.2 tp -72.8 -57.44 4.08 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 123.252 0.621 . . . . 39.950000000000003 112.218 -177.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 m -78.48 -30.73 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 N-CA-C 113.667 0.988 . . . . 41.829999999999998 113.667 -171.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.2 m -68.51 -36.82 79.43 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 112.958 0.725 . . . . 45.280000000000001 112.958 177.414 -63.486 -48.554 -84.314 105.561 2.039 110.162 -64.646 -67.338 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.75 -143.95 48.41 Favored Glycine 0 CA--C 1.51 -0.255 0 N-CA-C 111.234 -0.746 . . . . 50.079999999999998 111.234 -179.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . . . -60.28 -33.28 72.11 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 111.719 0.266 . . . . 59.399999999999999 111.719 -176.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . . . -57.23 -34.27 68.4 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 122.486 0.314 . . . . 51.350000000000001 111.774 177.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.0 -162.44 35.37 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 114.831 0.692 . . . . 46.729999999999997 114.831 176.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' B' ' 25' ' ' PHE . 4.4 p90 -164.98 167.55 18.36 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.079 -1.082 . . . . 37.119999999999997 108.079 179.024 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' B' ' 24' ' ' PHE . 2.7 m-30 69.96 42.27 1.04 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.756 0.789 . . . . 40.649999999999999 110.774 -170.556 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.32 169.12 2.3 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 115.134 0.814 . . . . 55.359999999999999 115.134 -176.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.26 135.54 25.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 111.287 -2.456 . . . . 77.239999999999995 105.786 178.744 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -61.18 -172.22 0.09 OUTLIER 'Trans proline' 0 N--CA 1.485 1.023 0 N-CA-C 114.694 0.998 . . . . 88.370000000000005 114.694 174.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.387 0 O-C-N 122.322 -0.236 . . . . 76.430000000000007 . -177.763 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1022 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2001 ' ' HOH . . . . . 0.459 ' O ' ' N ' ' B' ' 2' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.443 0 CA-C-O 121.474 0.486 . . . . 40.009999999999998 113.223 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 3' ' ' VAL . 9.5 tt -59.9 -48.57 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.161 0 N-CA-C 114.495 1.294 . . . . 38.539999999999999 114.495 -173.267 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.487 ' N ' HG23 ' A' ' 2' ' ' ILE . 44.1 t -65.42 -42.77 94.21 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.106 0 N-CA-C 108.551 -0.907 . . . . 40.549999999999997 108.551 -171.463 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -59.85 -41.76 92.13 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 112.94 0.719 . . . . 58.789999999999999 112.94 172.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . -77.19 -39.08 50.15 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 110.185 -0.302 . . . . 37.609999999999999 110.185 -171.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.2 m -104.99 -20.44 13.53 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 114.546 1.314 . . . . 37.240000000000002 114.546 -169.4 -70.013 -65.72 106.159 103.828 2.022 105.12 -157.077 67.688 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.4 t -111.66 -43.54 3.63 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.679 0.612 . . . . 42.060000000000002 111.364 -179.208 174.237 67.188 95.399 108.788 2.105 108.466 -78.191 -57.295 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.2 m -77.79 -49.65 13.91 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 117.954 -1.498 . . . . 37.009999999999998 109.605 178.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -98.59 -158.87 0.7 Allowed 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.861 -0.792 . . . . 42.450000000000003 108.861 170.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.7 mt -126.03 137.29 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 109.569 -0.53 . . . . 42.369999999999997 109.569 -177.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.524 ' HA ' ' OE1' ' A' ' 15' ' ' GLN . 24.2 p -123.53 124.34 42.62 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 122.49 1.138 . . . . 38.539999999999999 113.423 -173.615 67.688 -157.077 106.159 105.12 2.022 103.828 -65.72 -70.013 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . 0.264 19.7 p -52.9 159.56 1.12 Allowed 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 112.491 -2.141 . . . . 31.16 113.475 169.133 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.8 tp -55.36 -46.7 76.46 Favored 'General case' 0 CA--C 1.505 -0.785 0 C-N-CA 119.842 -0.743 . . . . 34.520000000000003 109.303 -173.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.439 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 11.0 m-30 -73.23 -25.9 60.92 Favored 'General case' 0 C--O 1.19 -2.067 0 N-CA-C 113.513 0.931 . . . . 35.57 113.513 -172.687 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.524 ' OE1' ' HA ' ' A' ' 11' ' ' CYS . 7.2 mt-30 -59.6 -55.27 36.6 Favored 'General case' 0 CA--C 1.485 -1.543 0 N-CA-C 106.969 -1.493 . . . . 36.350000000000001 106.969 167.83 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.4 tp -61.0 -32.42 72.0 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.674 -1.148 . . . . 36.0 111.05 -175.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -75.28 -12.38 60.26 Favored 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 112.512 0.56 . . . . 49.240000000000002 112.512 -172.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 14' ' ' TYR . 8.6 m-80 -94.28 10.06 35.59 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.295 1.22 . . . . 73.780000000000001 114.295 -175.055 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -110.43 26.02 11.14 Favored 'General case' 0 C--O 1.187 -2.2 0 N-CA-C 107.692 -1.225 . . . . 52.049999999999997 107.692 170.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.522 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 85.2 m -96.94 156.63 16.27 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 123.469 0.708 . . . . 48.469999999999999 110.414 176.393 -67.338 -64.646 -84.314 110.162 2.039 105.561 -48.554 -63.486 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 4.8 m-20 . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 128.69 2.796 . . . . 80.209999999999994 111.568 172.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' B' 2001 ' ' HOH . . . . . . . . 0 N--CA 1.503 2.221 0 CA-C-O 120.559 0.219 . . . . 58.020000000000003 111.259 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -116.26 114.67 24.7 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 115.476 1.658 . . . . 60.259999999999998 115.476 -174.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -86.23 -4.01 59.09 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 115.042 1.497 . . . . 54.509999999999998 115.042 -163.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -90.01 134.17 34.39 Favored 'General case' 0 C--O 1.19 -2.035 0 N-CA-C 113.828 1.047 . . . . 39.350000000000001 113.828 -175.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.36 106.06 18.13 Favored 'General case' 0 CA--C 1.499 -1.019 0 N-CA-C 108.344 -0.984 . . . . 43.670000000000002 108.344 175.348 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 64.0 m -122.14 152.28 40.07 Favored 'General case' 0 CA--C 1.509 -0.61 0 O-C-N 123.653 0.596 . . . . 45.780000000000001 110.873 176.495 -57.295 -78.191 95.399 108.466 2.105 108.788 67.188 174.237 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.6 -129.66 49.02 Favored Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 115.468 -0.787 . . . . 43.710000000000001 113.455 175.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 78.0 p -80.52 9.47 5.96 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 120.569 0.223 . . . . 44.810000000000002 111.337 -175.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -95.86 -28.62 14.63 Favored 'General case' 0 C--O 1.192 -1.965 0 N-CA-C 105.69 -1.967 . . . . 52.600000000000001 105.69 172.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.5 tp -75.62 -35.49 60.49 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.006 -0.997 . . . . 31.809999999999999 109.685 173.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.7 t -70.88 -59.86 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.143 0 N-CA-C 108.79 -0.818 . . . . 35.280000000000001 108.79 176.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . . . -45.78 -31.49 2.07 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-O 119.106 -0.473 . . . . 34.009999999999998 111.822 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.86 -37.61 58.77 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 115.325 1.602 . . . . 37.780000000000001 115.325 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 45.9 mt -68.67 -36.63 78.78 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-O 119.265 -0.398 . . . . 36.759999999999998 110.595 174.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -59.82 -34.15 72.69 Favored 'General case' 0 C--O 1.202 -1.395 0 C-N-CA 120.027 -0.669 . . . . 54.759999999999998 110.835 178.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.2 tp -72.8 -57.44 4.08 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 123.252 0.621 . . . . 39.950000000000003 112.218 -177.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 m -78.48 -30.73 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 N-CA-C 113.667 0.988 . . . . 41.829999999999998 113.667 -171.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.2 m -68.51 -36.82 79.43 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 112.958 0.725 . . . . 45.280000000000001 112.958 177.414 -63.486 -48.554 -84.314 105.561 2.039 110.162 -64.646 -67.338 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.75 -143.95 48.41 Favored Glycine 0 CA--C 1.51 -0.255 0 N-CA-C 111.234 -0.746 . . . . 50.079999999999998 111.234 -179.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . . . -60.28 -33.28 72.11 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 111.719 0.266 . . . . 59.399999999999999 111.719 -176.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . . . -57.23 -34.27 68.4 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 122.486 0.314 . . . . 51.350000000000001 111.774 177.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.0 -162.44 35.37 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 114.831 0.692 . . . . 46.729999999999997 114.831 176.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' B' ' 25' ' ' PHE . 4.4 p90 -164.98 167.55 18.36 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.079 -1.082 . . . . 37.119999999999997 108.079 179.024 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' B' ' 24' ' ' PHE . 2.7 m-30 69.96 42.27 1.04 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.756 0.789 . . . . 40.649999999999999 110.774 -170.556 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.32 169.12 2.3 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 115.134 0.814 . . . . 55.359999999999999 115.134 -176.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.26 135.54 25.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 111.287 -2.456 . . . . 77.239999999999995 105.786 178.744 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -61.18 -172.22 0.09 OUTLIER 'Trans proline' 0 N--CA 1.485 1.023 0 N-CA-C 114.694 0.998 . . . . 88.370000000000005 114.694 174.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.387 0 O-C-N 122.322 -0.236 . . . . 76.430000000000007 . -177.763 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1022 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2001 ' ' HOH . . . . . 0.459 ' O ' ' N ' ' B' ' 2' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_